Lot numbers can be found on the outside label of a product:
1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid
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CAS No. 4792-29-4
- Cat. No. CS-0050454
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 4792-29-4
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General Information
- CAS No. 4792-29-4
- Cat. No. CS-0050454
- Purity ≥95%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆O₄
- Molecular Weight 178.14
- Synonym(s) 5-Carboxyphthalide
- SMILES OC(=O)C1=CC=C2C(=O)OCC2=C1
Description
This electron-deficient heterocycle integrates a carboxylic acid group at the 5-position, enabling direct functionalization in synthetic transformations. The fused isobenzofuran scaffold offers rigidity and enhanced stability under standard conditions, facilitating its use in medicinal chemistry applications.
Application
1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. Its fused bicyclic core exhibits good bench stability and facilitates efficient functionalization at the carboxylic acid and carbonyl sites. The compound functions effectively in standard coupling reactions and provides access to diverse analogs through established synthetic transformations.
Synthesis
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Route1
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In-stock
100-21-0 - ~83%
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In-stock
4792-29-4
References
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H. Lundbeck A/S Patent: US6403813 B1, 2002 ;
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Route2
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50-00-0 -
In-stock
100-21-0
- ~79%
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In-stock
4792-29-4
References
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H. LUNDBECK A/S Patent: WO2004/83197 A2, 2004 ; Location in patent: Page 21 ;
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Route3
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110-88-3
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In-stock
100-21-0
- ~%
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In-stock
4792-29-4
References
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Norpharma S.p.A. Patent: US6458973 B1, 2002 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 63.6
- LogP 1.0552
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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